5-(cyclohexylmethylamino)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide

C17H28N4O — CID 45160022

IUPAC5-(cyclohexylmethylamino)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCNC(=O)c1nn(C)c2c1CC(NCC1CCCCC1)CC2
InChIInChI=1S/C17H28N4O/c1-18-17(22)16-14-10-13(8-9-15(14)21(2)20-16)19-11-12-6-4-3-5-7-12/h12-13,19H,3-11H2,1-2H3,(H,18,22)
InChIKeyFEDRIXHRLKFUTR-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.81
Rot. Bonds4

About 5-(cyclohexylmethylamino)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide

5-(cyclohexylmethylamino)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 45160022) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 5-(cyclohexylmethylamino)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name5-(cyclohexylmethylamino)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID45160022
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name5-(cyclohexylmethylamino)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCNC(=O)c1nn(C)c2c1CC(NCC1CCCCC1)CC2
InChIInChI=1S/C17H28N4O/c1-18-17(22)16-14-10-13(8-9-15(14)21(2)20-16)19-11-12-6-4-3-5-7-12/h12-13,19H,3-11H2,1-2H3,(H,18,22)
InChIKeyFEDRIXHRLKFUTR-UHFFFAOYSA-N
XLogP1.81
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethylamino)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 5-(cyclohexylmethylamino)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 45160022) is 5-(cyclohexylmethylamino)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 5-(cyclohexylmethylamino)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 5-(cyclohexylmethylamino)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide is CNC(=O)c1nn(C)c2c1CC(NCC1CCCCC1)CC2.
What is the InChIKey of 5-(cyclohexylmethylamino)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is FEDRIXHRLKFUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-18-17(22)16-14-10-13(8-9-15(14)21(2)20-16)19-11-12-6-4-3-5-7-12/h12-13,19H,3-11H2,1-2H3,(H,18,22).
What are the key properties of 5-(cyclohexylmethylamino)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
5-(cyclohexylmethylamino)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 304.44 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethylamino)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 45160022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).